HuagongsheHuagongshe Chemistry Print Report · For research reference only
6'-Nitro-3-phenyl-2,2'-spirobi[[1]benzopyran]
![6'-Nitro-3-phenyl-2,2'-spirobi[[1]benzopyran] molecular structure](/img/chemical/19084151.png)
Identifiers & Physical Properties
| CAS No. | 6428-15-5 |
|---|---|
| Molecular formula | C23H15NO4 |
| Average molar mass | 369.4 g/mol |
| Monoisotopic mass | 369.10010796 g/mol |
| SMILES | O=[N+]([O-])c1ccc2c(c1)C=CC1(Oc3ccccc3C=C1c1ccccc1)O2 |
| InChIKey | VUSQQIBLPPHVBG-UHFFFAOYSA-N |
| PubChem CID | 19084151 |
| DTXSID | DTXSID30597913 |
Chemical & Physical Properties
| XLogP | 5.4 |
|---|---|
| Topological polar surface area | 64.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 662 |